(3S,4Ar,6S,8Ar)-6-{[(2S)-2-Carboxy-4,4-Difluoro-1-Pyrrolidinyl]Methyl}Decahydro-3-Isoquinolinecarboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C16H24F2N2O4 |
| IUPAC Name | (3s,4ar,6s,8as)-6-[[(1s,2r)-2-carboxy-4,4-difluoro-pyrrolidin-1-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid |
| Molecular Mass | 346.370 g·mol−1 |
| Heat of Formation | -1257.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.66 ± 1.08 D |
| Volume | 401.42 Å 3 |
| Surface Area | 338.43 Å 2 |
| HOMO Energy | -9.37 ± 0.55 eV |
| LUMO Energy | 0.25 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OXQXJYQSWZFDBB-CKIKVBCHSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O F |